3-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine

• ChemBase ID: 73502
• Molecular Formular: C14H11BrN2O
• Molecular Mass: 303.15394
• Monoisotopic Mass: 302.00547498
• SMILES: n12c(c(c3ccc(cc3)OC)nc1cccc2)Br
• Canonical SMILES: COc1ccc(cc1)c1nc2n(c1Br)cccc2
• InChI: InChI=1S/C14H11BrN2O/c1-18-11-7-5-10(6-8-11)13-14(15)17-9-3-2-4-12(17)16-13/h2-9H,1H3
• InChIKey: YRBTWQXRCYWNPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
• IUPAC Traditional name: 3-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
• Synonyms: 3-Bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine

Database IDs

• CAS Number: 138023-17-3
• MDL Number: MFCD06245411
• PubChem SID: 162038421
• PubChem CID: 2771723

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0567954
• LogD (pH = 7.4): 3.1034317
• Log P: 3.104062
• Molar Refractivity: 74.5686 cm^3
• Polarizability: 29.479338 Å^3
• Polar Surface Area: 26.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic